N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine

C43H28N2S — CID 166860845

IUPACN,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)sc4cccnc45)cc3)ccc2c1
InChIInChI=1S/C43H28N2S/c1-3-8-33-26-35(13-11-29(33)6-1)31-15-19-37(20-16-31)45(39-23-24-40-42(28-39)46-41-10-5-25-44-43(40)41)38-21-17-32(18-22-38)36-14-12-30-7-2-4-9-34(30)27-36/h1-28H
InChIKeyMWDZNTKYPOUIQS-UHFFFAOYSA-N
MW604.78 g/mol
LogP12.56
Rot. Bonds5

About N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine

N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine (PubChem CID 166860845) has the molecular formula C43H28N2S and a molecular weight of 604.78 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine
PubChem CID166860845
Molecular FormulaC43H28N2S
Molecular Weight604.78 g/mol
Exact Mass604.20
IUPAC NameN,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)sc4cccnc45)cc3)ccc2c1
InChIInChI=1S/C43H28N2S/c1-3-8-33-26-35(13-11-29(33)6-1)31-15-19-37(20-16-31)45(39-23-24-40-42(28-39)46-41-10-5-25-44-43(40)41)38-21-17-32(18-22-38)36-14-12-30-7-2-4-9-34(30)27-36/h1-28H
InChIKeyMWDZNTKYPOUIQS-UHFFFAOYSA-N
XLogP12.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.78
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256597
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzothiophen-3-amine
CID 168809897
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861
N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
CID 166861055
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174256225
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N,N-bis[4-([1]benzothiolo[3,2-c]pyridin-1-yl)phenyl]-7-naphthalen-2-ylphenanthren-2-amine
CID 170404964
N-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177100618
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
CID 166860593

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine?
The IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine (CID 166860845) is N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine?
The canonical SMILES for N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine is c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)sc4cccnc45)cc3)ccc2c1.
What is the InChIKey of N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine?
The InChIKey is MWDZNTKYPOUIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2S/c1-3-8-33-26-35(13-11-29(33)6-1)31-15-19-37(20-16-31)45(39-23-24-40-42(28-39)46-41-10-5-25-44-43(40)41)38-21-17-32(18-22-38)36-14-12-30-7-2-4-9-34(30)27-36/h1-28H.
What are the key properties of N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine?
N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine has a molecular weight of 604.78 g/mol, XLogP of 12.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-2-ylphenyl)-[1]benzothiolo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 166860845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).